1-(2,5-dichlorophenyl)-3-ethyl-6-methylpiperazine-2,5-dione

C13H14Cl2N2O2 — CID 64961796

IUPAC1-(2,5-dichlorophenyl)-3-ethyl-6-methylpiperazine-2,5-dione
SMILESCCC1NC(=O)C(C)N(c2cc(Cl)ccc2Cl)C1=O
InChIInChI=1S/C13H14Cl2N2O2/c1-3-10-13(19)17(7(2)12(18)16-10)11-6-8(14)4-5-9(11)15/h4-7,10H,3H2,1-2H3,(H,16,18)
InChIKeyHWNKEFPSWCQIHT-UHFFFAOYSA-N
MW301.17 g/mol
LogP2.62
Rot. Bonds2

About 1-(2,5-dichlorophenyl)-3-ethyl-6-methylpiperazine-2,5-dione

1-(2,5-dichlorophenyl)-3-ethyl-6-methylpiperazine-2,5-dione (PubChem CID 64961796) has the molecular formula C13H14Cl2N2O2 and a molecular weight of 301.17 g/mol. Its IUPAC name is 1-(2,5-dichlorophenyl)-3-ethyl-6-methylpiperazine-2,5-dione.

Molecular Properties

Compound Name1-(2,5-dichlorophenyl)-3-ethyl-6-methylpiperazine-2,5-dione
PubChem CID64961796
Molecular FormulaC13H14Cl2N2O2
Molecular Weight301.17 g/mol
Exact Mass300.04
IUPAC Name1-(2,5-dichlorophenyl)-3-ethyl-6-methylpiperazine-2,5-dione
SMILESCCC1NC(=O)C(C)N(c2cc(Cl)ccc2Cl)C1=O
InChIInChI=1S/C13H14Cl2N2O2/c1-3-10-13(19)17(7(2)12(18)16-10)11-6-8(14)4-5-9(11)15/h4-7,10H,3H2,1-2H3,(H,16,18)
InChIKeyHWNKEFPSWCQIHT-UHFFFAOYSA-N
XLogP2.62
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.17
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,5-dichlorophenyl)-6-methyl-3-(2-methylpropyl)piperazine-2,5-dione
CID 64961786
1-(2,5-dichlorophenyl)-6-ethyl-3-propylpiperazine-2,5-dione
CID 64961750
1-(5-chloro-2-methylphenyl)-3,6-diethylpiperazine-2,5-dione
CID 64961428
1-(2-chloro-5-methylphenyl)-6-methyl-3-(2-methylpropyl)piperazine-2,5-dione
CID 107640202
1-(3-chloro-5-fluorophenyl)-3-ethyl-6-methylpiperazine-2,5-dione
CID 107370923
1-(3,4-difluorophenyl)-3-ethyl-6-methylpiperazine-2,5-dione
CID 64957775
1-(4-bromo-2,5-difluorophenyl)-3-ethyl-6-methylpiperazine-2,5-dione
CID 107608196
1-(4-chloro-2-fluorophenyl)-3,6-diethylpiperazine-2,5-dione
CID 64965262
3-ethyl-1-(4-methoxy-2-methylphenyl)-6-methylpiperazine-2,5-dione
CID 64970204
1-(3-chloro-4-fluorophenyl)-3,6-diethylpiperazine-2,5-dione
CID 64962986
1-(4-tert-butylphenyl)-3-ethyl-6-methylpiperazine-2,5-dione
CID 64956453
1-(1,3-dimethylpyrazol-4-yl)-3-ethyl-6-methylpiperazine-2,5-dione
CID 102807639

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dichlorophenyl)-3-ethyl-6-methylpiperazine-2,5-dione?
The IUPAC name of 1-(2,5-dichlorophenyl)-3-ethyl-6-methylpiperazine-2,5-dione (CID 64961796) is 1-(2,5-dichlorophenyl)-3-ethyl-6-methylpiperazine-2,5-dione.
What is the SMILES notation for 1-(2,5-dichlorophenyl)-3-ethyl-6-methylpiperazine-2,5-dione?
The canonical SMILES for 1-(2,5-dichlorophenyl)-3-ethyl-6-methylpiperazine-2,5-dione is CCC1NC(=O)C(C)N(c2cc(Cl)ccc2Cl)C1=O.
What is the InChIKey of 1-(2,5-dichlorophenyl)-3-ethyl-6-methylpiperazine-2,5-dione?
The InChIKey is HWNKEFPSWCQIHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14Cl2N2O2/c1-3-10-13(19)17(7(2)12(18)16-10)11-6-8(14)4-5-9(11)15/h4-7,10H,3H2,1-2H3,(H,16,18).
What are the key properties of 1-(2,5-dichlorophenyl)-3-ethyl-6-methylpiperazine-2,5-dione?
1-(2,5-dichlorophenyl)-3-ethyl-6-methylpiperazine-2,5-dione has a molecular weight of 301.17 g/mol, XLogP of 2.62, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dichlorophenyl)-3-ethyl-6-methylpiperazine-2,5-dione is sourced from PubChem (CID 64961796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).